gem.lattice.Lattice.compute_functional

Lattice.compute_functional(Fragments_list, T=0.0, Tsmearing=0.0)[source]

Compute the value of the finite temperature functional.

Parameters:

Fragments_list – List of Fragment objects that contain the self-energies.
T – float, optional. Electronic temperature (default: 0.0).
Tsmearing – float, optional. Temperature for smearing while doing zero temperature calculations (default: 0.0).